1-methoxy-4-methylpentan-2-ol

C7H16O2 — CID 23405791

IUPAC1-methoxy-4-methylpentan-2-ol
SMILESCOCC(O)CC(C)C
InChIInChI=1S/C7H16O2/c1-6(2)4-7(8)5-9-3/h6-8H,4-5H2,1-3H3
InChIKeyPUBJOYLZVVHMIK-UHFFFAOYSA-N
MW132.20 g/mol
LogP1.04
Rot. Bonds4

About 1-methoxy-4-methylpentan-2-ol

1-methoxy-4-methylpentan-2-ol (PubChem CID 23405791) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 1-methoxy-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-methoxy-4-methylpentan-2-ol
PubChem CID23405791
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name1-methoxy-4-methylpentan-2-ol
SMILESCOCC(O)CC(C)C
InChIInChI=1S/C7H16O2/c1-6(2)4-7(8)5-9-3/h6-8H,4-5H2,1-3H3
InChIKeyPUBJOYLZVVHMIK-UHFFFAOYSA-N
XLogP1.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-methylpentan-2-ol?
The IUPAC name of 1-methoxy-4-methylpentan-2-ol (CID 23405791) is 1-methoxy-4-methylpentan-2-ol.
What is the SMILES notation for 1-methoxy-4-methylpentan-2-ol?
The canonical SMILES for 1-methoxy-4-methylpentan-2-ol is COCC(O)CC(C)C.
What is the InChIKey of 1-methoxy-4-methylpentan-2-ol?
The InChIKey is PUBJOYLZVVHMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2/c1-6(2)4-7(8)5-9-3/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-methoxy-4-methylpentan-2-ol?
1-methoxy-4-methylpentan-2-ol has a molecular weight of 132.20 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-methylpentan-2-ol is sourced from PubChem (CID 23405791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).